[Pw_forum] DOS calculation

vinoth r vinothrece at gmail.com
Sun Feb 20 04:13:27 CET 2011


Dear pwscf user,
                      i want to calculate DOS for Graphene Nanoribbon.I
optimized my GNR using relax calculation.i finished my SCFcalculation
also.while doing NSCF calculation i got like (last few lines of my nscf
output)

negative rho (up, down):  0.227E-02 0.000E+00
     Starting wfc are  132 atomic wfcs

     total cpu time spent up to now is     90.08 secs

     per-process dynamical memory:   730.3 Mb

     Band Structure Calculation.

After 5 hours also it doesnt calculate any thing & it doesnt show any
error.Could you help me to rectify the problem.

with regards
Abenano
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